1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide

C19H35N3O3S — CID 4132150

IUPAC1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(S(=O)(=O)N3CCCCCC3)C2)CC1
InChIInChI=1S/C19H35N3O3S/c1-16-8-10-18(11-9-16)20-19(23)17-7-6-14-22(15-17)26(24,25)21-12-4-2-3-5-13-21/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyMWLMMDMSNINCCP-UHFFFAOYSA-N
MW385.57 g/mol
LogP2.51
Rot. Bonds4

About 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide

1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 4132150) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID4132150
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC Name1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(S(=O)(=O)N3CCCCCC3)C2)CC1
InChIInChI=1S/C19H35N3O3S/c1-16-8-10-18(11-9-16)20-19(23)17-7-6-14-22(15-17)26(24,25)21-12-4-2-3-5-13-21/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyMWLMMDMSNINCCP-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide (CID 4132150) is 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide is CC1CCC(NC(=O)C2CCCN(S(=O)(=O)N3CCCCCC3)C2)CC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is MWLMMDMSNINCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-16-8-10-18(11-9-16)20-19(23)17-7-6-14-22(15-17)26(24,25)21-12-4-2-3-5-13-21/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 4132150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).